current right signature 0 != proper right signature

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Gets Around

6:12:15 AM PST - Fri, Nov 14th 2014
Hello Karol. btw cas 2 2 works only if TARGETSYM is set, but according to the documentation Quote:http://nwchemgit.github.io/index.php/Release66:TCE On the other hand, in the frequency calculations, TARGETSYM must be none, since the finite displacements given in the course of frequency calculations will lift the spatial symmetry of the equilibrium geometry. . So I can't use cas 2 2.